CID 138319361

N-(2-hydroxytetracosanoyl)-(6r)-6-hydroxysphingosine

Structural Information

Molecular Formula
C42H83NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(47)42(48)43-39(37-44)40(46)36-35-38(45)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-41,44-47H,3-34,37H2,1-2H3,(H,43,48)/b36-35+/t38-,39+,40-,41?/m1/s1
InChIKey
GBGUSZWBYGKEBA-LIBUACOKSA-N
Compound name
2-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

681.62714 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.63442 278.5
[M+Na]+ 704.61636 280.8
[M-H]- 680.61986 265.9
[M+NH4]+ 699.66096 275.5
[M+K]+ 720.59030 285.1
[M+H-H2O]+ 664.62440 274.3
[M+HCOO]- 726.62534 265.8
[M+CH3COO]- 740.64099 277.2
[M+Na-2H]- 702.60181 257.9
[M]+ 681.62659 271.8
[M]- 681.62769 271.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.